smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1CCCN(CC(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)CC1	ZINC000218143172	378437073	/nfs/dbraw/zinc/43/70/73/378437073.db2.gz	QQYRERLUDORYFF-UHFFFAOYSA-N	1	1	333.436	-0.063	50	70		EBIAMO
COCc1noc(CN2CC[N@H+](C3CCOCC3)C[C@@H](O)C2)n1	ZINC000217753622	536828795	/nfs/dbraw/zinc/82/87/95/536828795.db2.gz	FGONMDXEROIWMG-ZDUSSCGKSA-N	1	1	326.397	-0.127	50	70		EBIAMO
Cc1cccc([C@H](C(=O)N2CCN(S(N)(=O)=O)CC2)[NH+](C)C)c1	ZINC000216996872	241229590	/nfs/dbraw/zinc/22/95/90/241229590.db2.gz	NLYSLJNJULLNGY-CQSZACIVSA-N	1	1	340.449	-0.055	50	70		EBIAMO
Cc1nn(CCO)cc1CN1CC[N@H+](C2CCOCC2)C[C@@H](O)C1	ZINC000217905393	241283178	/nfs/dbraw/zinc/28/31/78/241283178.db2.gz	VEGNNQIKCDWKQJ-KRWDZBQOSA-N	1	1	338.452	-0.159	50	70		EBIAMO
CN(CC(=O)N1CC[N@@H+](CCO)C[C@@H](O)C1)Cc1ccccc1F	ZINC000217969274	241288494	/nfs/dbraw/zinc/28/84/94/241288494.db2.gz	RWFMMZGXKZGRRR-OAHLLOKOSA-N	1	1	339.411	-0.245	50	70		EBIAMO
CC(=O)N1CCC([N@H+]2CCN(CCc3cn[nH]c3)C[C@@H](O)C2)CC1	ZINC000217505177	241255219	/nfs/dbraw/zinc/25/52/19/241255219.db2.gz	UMBRLGIOMVJIPO-QGZVFWFLSA-N	1	1	335.452	-0.058	50	70		EBIAMO
CC(=O)N1CCC(N2CC[N@H+](CCc3cn[nH]c3)C[C@@H](O)C2)CC1	ZINC000217505177	241255226	/nfs/dbraw/zinc/25/52/26/241255226.db2.gz	UMBRLGIOMVJIPO-QGZVFWFLSA-N	1	1	335.452	-0.058	50	70		EBIAMO
CC(=O)N1CCC(N2CC[N@@H+](CCc3cn[nH]c3)C[C@@H](O)C2)CC1	ZINC000217505177	241255231	/nfs/dbraw/zinc/25/52/31/241255231.db2.gz	UMBRLGIOMVJIPO-QGZVFWFLSA-N	1	1	335.452	-0.058	50	70		EBIAMO
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CC[NH+](CCO)CC1	ZINC000218322052	241314713	/nfs/dbraw/zinc/31/47/13/241314713.db2.gz	OITUQXYYFPEQAG-UHFFFAOYSA-N	1	1	330.388	-0.008	50	70		EBIAMO
C[C@H](O)c1cc2n(n1)CCC[N@@H+](CCc1c[nH]c(=O)n(C)c1=O)C2	ZINC000217798450	241275109	/nfs/dbraw/zinc/27/51/09/241275109.db2.gz	VISXEUIHCKFITD-NSHDSACASA-N	1	1	333.392	-0.228	50	70		EBIAMO
Cc1cccc([C@@H](C(=O)N2CCN(S(N)(=O)=O)CC2)[NH+](C)C)c1	ZINC000216996866	241229500	/nfs/dbraw/zinc/22/95/00/241229500.db2.gz	NLYSLJNJULLNGY-AWEZNQCLSA-N	1	1	340.449	-0.055	50	70		EBIAMO
OCCNc1cc(N2CC[N@@H+](CCc3cn[nH]c3)C[C@@H](O)C2)ncn1	ZINC000217201084	241241025	/nfs/dbraw/zinc/24/10/25/241241025.db2.gz	USFVMDMZUZWNKA-CQSZACIVSA-N	1	1	347.423	-0.671	50	70		EBIAMO
C[N@@H+](CCN1CCN2C(=O)C(=O)NC[C@@H]2C1)Cc1ccc(F)cc1	ZINC000160277132	529909165	/nfs/dbraw/zinc/90/91/65/529909165.db2.gz	YCGJNDVGQMVWLJ-OAHLLOKOSA-N	1	1	334.395	-0.100	50	70		EBIAMO
C[C@@H](O)c1cc2n(n1)CCC[N@@H+](CCc1c[nH]c(=O)n(C)c1=O)C2	ZINC000217798394	241274950	/nfs/dbraw/zinc/27/49/50/241274950.db2.gz	VISXEUIHCKFITD-LLVKDONJSA-N	1	1	333.392	-0.228	50	70		EBIAMO
Cc1nn(CCO)cc1C[N@@H+]1CCN(c2nccc(N)n2)C[C@@H](O)C1	ZINC000217076854	241235270	/nfs/dbraw/zinc/23/52/70/241235270.db2.gz	ZVCRPIQTXPYAHO-AWEZNQCLSA-N	1	1	347.423	-0.761	50	70		EBIAMO
Cc1nn(CCO)cc1C[N@H+]1CCN(c2nccc(N)n2)C[C@@H](O)C1	ZINC000217076854	241235275	/nfs/dbraw/zinc/23/52/75/241235275.db2.gz	ZVCRPIQTXPYAHO-AWEZNQCLSA-N	1	1	347.423	-0.761	50	70		EBIAMO